ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate

C15H28N2O3 — CID 81338447

IUPACethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
SMILESCCCC(C)NC(=O)CN1CCC[C@H](C(=O)OCC)C1
InChIInChI=1S/C15H28N2O3/c1-4-7-12(3)16-14(18)11-17-9-6-8-13(10-17)15(19)20-5-2/h12-13H,4-11H2,1-3H3,(H,16,18)/t12?,13-/m0/s1
InChIKeyKLTYEXVHOXEJKP-ABLWVSNPSA-N
MW284.40 g/mol
LogP1.57
Rot. Bonds7

About ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate

ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate (PubChem CID 81338447) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
PubChem CID81338447
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate
SMILESCCCC(C)NC(=O)CN1CCC[C@H](C(=O)OCC)C1
InChIInChI=1S/C15H28N2O3/c1-4-7-12(3)16-14(18)11-17-9-6-8-13(10-17)15(19)20-5-2/h12-13H,4-11H2,1-3H3,(H,16,18)/t12?,13-/m0/s1
InChIKeyKLTYEXVHOXEJKP-ABLWVSNPSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 43385895
ethyl 1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxylate
CID 60750746
methyl (3S)-1-[2-(heptan-2-ylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79037613
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
ethyl 1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 78787403
2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]acetic acid
CID 52903753
ethyl 1-[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 51170825
ethyl (3S)-1-propylpiperidine-3-carboxylate
CID 51669174
ethyl (3S)-1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidine-3-carboxylate
CID 81339260
(3R)-1-[2-oxo-2-(propylamino)ethyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94378672
ethyl (3R)-1-[2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532308

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate (CID 81338447) is ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate is CCCC(C)NC(=O)CN1CCC[C@H](C(=O)OCC)C1.
What is the InChIKey of ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate?
The InChIKey is KLTYEXVHOXEJKP-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-7-12(3)16-14(18)11-17-9-6-8-13(10-17)15(19)20-5-2/h12-13H,4-11H2,1-3H3,(H,16,18)/t12?,13-/m0/s1.
What are the key properties of ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate?
ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidine-3-carboxylate is sourced from PubChem (CID 81338447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).